| Re: Relativistic effects ( No.1 )|
- Date: 2013/10/31 13:31
- Name: T. Ozaki
The relativistic pseudopotentials include all the relativistic effects not
only for core electrons but also valence electrons.
Although the Schroedinger equation is solved with the relativistic pseudopotentials
for calculations of molecules and bulks, most of the relativistic effects are included
through the relativistic pseudopotentials. The remaining relativistic effect which is
missed by the use of the Schroedinger equation is minor in fact.
| Re: Relativistic effects ( No.2 )|
- Date: 2013/11/01 19:39
- Name: Cristian Morari <email@example.com>
and thanks for the answer, this is a really good news for me!